General Information of the Compound
| Compound ID |
CP0392970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F7N2O2
|
||||||||||||||||||
| Molecular Weight |
476.392
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@H]1CN2[C@@H](CNC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F7N2O2/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-18-10-31-17(9-30-20(31)32)19(18)12-2-4-16(23)5-3-12/h2-8,11,17-19H,9-10H2,1H3,(H,30,32)/t11-,17+,18+,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZFQUSTZMHSQPN-VNNGDKDKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound